6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one

C10H10N2O3 — CID 68979581

IUPAC6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
SMILESNCC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H10N2O3/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5,11H2,(H,12,14)
InChIKeyRRXAMPBHSNWACC-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.16
Rot. Bonds2

About 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one

6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one (PubChem CID 68979581) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
PubChem CID68979581
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one
SMILESNCC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C10H10N2O3/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5,11H2,(H,12,14)
InChIKeyRRXAMPBHSNWACC-UHFFFAOYSA-N
XLogP0.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-aminobutanoyl)-4H-1,4-benzoxazin-3-one
CID 82339476
6-(2-aminooxyacetyl)-4H-1,4-benzoxazin-3-one
CID 83967692
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
6-(4,4-dimethylpentanoyl)-4H-1,4-benzoxazin-3-one
CID 114212567
6-(2-cyclobutylacetyl)-4H-1,4-benzoxazin-3-one
CID 103162383
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanenitrile
CID 116862102
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
6-[3-[di(propan-2-yl)amino]propanoyl]-4H-1,4-benzoxazin-3-one
CID 59028425
6-[2-(2,2,2-trifluoroethoxy)acetyl]-4H-1,4-benzoxazin-3-one
CID 104932533
6-(2,2-dichloroacetyl)-4H-1,4-benzoxazin-3-one
CID 116827168
1-(3-oxo-4H-1,4-benzoxazin-6-yl)-4-piperidin-1-ylbutane-1,4-dione
CID 110344918
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-chlorobenzoate
CID 2409679

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one (CID 68979581) is 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one is NCC(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is RRXAMPBHSNWACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c11-4-8(13)6-1-2-9-7(3-6)12-10(14)5-15-9/h1-3H,4-5,11H2,(H,12,14).
What are the key properties of 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one?
6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 206.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoacetyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 68979581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).